Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50540249'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540249 (CHEMBL4635778) Show SMILES CCOC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H25N3O6S/c1-5-31-20(28)12-25-22(14-7-6-8-15(9-14)32(4,29)30)21(23-24-25)17-10-16(13(2)3)18(26)11-19(17)27/h6-11,13,26-27H,5,12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
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